--- impurity 0 with degeneracy 4 ---
  Tr(Sigma*G)/2= 78.241653101
  <s_oo>= 26.2867303376
  sum_i Sigma_oo(i)*n(i)/2= 81.7098904878
  <Sigma_oo>*n/2= 81.8342128968
:EORB   -1.05619319158